ASE database

ID Formula Username no_equ_25 no_equ_17 no_equ_4
8 Cu54Ar hecc ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006 ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057
7 Cu54F hecc - - ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335
6 Cu54O hecc - - ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406
5 Cu54N hecc - ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004 ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725
4 Cu54C hecc - ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025 ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427
3 Cu54B hecc - ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007 ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662
2 BeCu54 hecc - ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613 ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616
1 Cu54Li hecc - - ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141